arXiv subjects

Andreas Kyritsakis

Publications and source records attributed to Andreas Kyritsakis.

At least 19 recordsLinked to original sources

arXiv2026

Coupled simulation of plasma-surface interactions during early stages of vacuum arcing

We describe fully coupled simulations that bridge atomistic cathode dynamics and plasma formation during the earliest stages of vacuum arcing. The model combines molecular dynamics, finite element electrothermal calculations, electron emission and particle-in-cell plasma simulations via dynamic transfer of particles between the surface and plasma domains. Simulations of Cu nanoprotrusions reveal two routes to thermal runaway: direct Joule heating-driven instability and a novel nanoparticle-assisted mechanism, where detached nanoparticles generate neutral vapor that becomes ionized.

physics.plasm-ph↗

arXiv2025

Influence of an external static magnetic field on prebreakdown electron emission and heating

High magnetic fields can increase the occurrence of vacuum arcing, suggesting that both electric and magnetic fields can play a role in the vacuum arcing process. The mechanism of vacuum arcing in high magnetic fields is believed to involve both the cathode and the anode, with the cathode serving as the originator of field-emitting nanoprotrusions or tips, while the anode serves a secondary role. Significant heating of the anode surface can be achieved by magnetic focusing of the emitted electron beam, leading to increased heat flux due to greater current density. We simulated the emitted electron beam in different configurations of the electric and magnetic fields using the particle-in-cell (PIC) and finite element methods (FEM). The heating caused by the impacting electron beam was simulated for magnetic fields ranging from 0 T to 30 T. The directions of the electric and magnetic fields were found to play a major role in the focusing of the electron beam. We found that a sufficient temperature increase on the anode surface for evaporation can be reached at magnetic fields on the order of 10-30 T, suggesting the possibility of plasma initiation on the anode side.

physics.acc-ph↗

arXiv2025

Towards 4D modelisation of thermal-field emission from semiconductors

The theoretical picture of thermal field-emission (TFE) from semiconductors has been limited to 1D and 2D models. This can be attributed to the complex and interdependent phenomena that is involved in TFE from semiconductors which makes the calculations cumbersome. Such limitations result in a partial understanding of the underlying physics of semiconducting surfaces under high electrical fields, which requires the addition of the temporal dimension (4D) to yield a realistic model. Here we develop a 3D model of TFE from semiconductors that can take arbitrary geometries and doping levels. Our model successfully reproduces the characteristic saturation plateau of some semiconductors, as well as its dependence in temperature. The model is found to be in good agreement with experimental data from ntype Germanium at a qualitative level. We propose this model as a platform for future extensions into the full 4D framework, incorporating temporal dynamics for a more complete and predictive description of thermal-field emission from semiconductors.

cond-mat.mtrl-sci↗

arXiv2025

Theory and computation of thermal-field emission from semiconductors

Semiconducting field emitters present some interesting features (e.g.; self-limited electron emission) for both scientific interest and industrial applications. The analysis of experimental results and device design has been restrained by the lack of accurate 3D models for the simulation of thermal-field emission from semiconductors. Here we review and correct the equations of field emission from semiconductors and include them to expand GETELEC (General Tool for Electron Emission Calculations). Our method covers all electron emission regime (field, thermal, and intermediate), aiming to maximise the calculation accuracy while minimising the computational cost. GETELEC-2.0 is able to reproduce the characteristic non-linear I-V curves in Fowler-Nordheim coordinates obtained from semiconductors, giving insights about their nature. As well as providing an explanation to the lack of experimental observation of valence band electrons from semiconductors.

cond-mat.mtrl-sci↗

arXiv2025

Fundamentals of Vacuum Breakdown in High-Field Systems

This review consolidates experimental, theoretical, and simulation work examining the behavior of high-field devices and the fundamental process of vacuum arc initiation, commonly referred to as breakdown. Detailed experimental observations and results relating to a wide range of aspects of high-field devices, including conditioning, field and temperature dependence of breakdown rate, and the ability to sustain high electric fields as a function of device geometry and materials, are presented. The different observations are then addressed theoretically, and with simulation, capturing the sequence of processes that lead to vacuum breakdown and explaining the major observed experimental dependencies. The core of the work described in this review was carried out by a broad multi-disciplinary collaboration in an over a decade-long program to develop high-gradient, 100 MV/m-range, accelerating structures for the CLIC project, a possible future linear-collider high-energy physics facility. Connections are made to the broader linear collider, high-field, and breakdown communities.

physics.app-ph↗

arXiv2024

In-situ observation of field-induced nano-protrusion growth on a carbon-coated tungsten nanotip

Nano-protrusion (NP) on metal surface and its inevitable contamination layer under high electric field is often considered as the primary precursor that leads to vacuum breakdown, which plays an extremely detrimental effect for high energy physics equipment and many other devices. Yet, the NP growth has never been experimentally observed. Here, we conduct field emission (FE) measurements along with in-situ Transmission Electron Microscopy (TEM) imaging of an amorphous-carbon (a-C) coated tungsten nanotip at various nanoscale vacuum gap distances. We find that under certain conditions, the FE current-voltage (I-V) curves switch abruptly into an enhanced-current state, implying the growth of an NP. We then run field emission simulations, demonstrating that the temporary enhanced-current I-V is perfectly consistent with the hypothesis that a NP has grown at the apex of the tip. This hypothesis is also confirmed by the repeatable in-situ observation of such a nano-protrusion and its continued growth during successive FE measurements in TEM. We tentatively attribute this phenomenon to field-induced biased diffusion of surface a-C atoms, after performing a finite element analysis that excludes the alternative possibility of field-induced plastic deformation.

cond-mat.mtrl-sci↗

arXiv2024

Simulating vacuum arc initiation by coupling emission, heating and plasma processes

Vacuum arcing poses significant challenges for high-field vacuum devices, underscoring the importance of understanding it for their efficient design. A detailed description of the physical mechanisms involved in vacuum arcing is yet to be achieved, despite extensive research. In this work, we further develop the modelling of the physical processes involved in the initiation of vacuum arcing, starting from field emission and leading to plasma onset. Our model concurrently combines particle-in-cell with Monte Carlo collisions (PIC-MCC) simulations of plasma processes with finite element-based calculations of electron emission and the associated thermal effects. Including the processes of evaporation, impact ionization and direct field ionization allowed us to observe the dynamics of plasma buildup from an initially cold cathode surface. We simulated a static nanotip at various local fields to study the thresholds for thermal runaway and plasma initiation, identifying the significance of various interactions. We found that direct field ionization of neutrals has a significant effect at high fields on the order of 10 GV/m. Furthermore, we find that cathode surface interactions such as evaporation, sputtering and bombardment heating play a major role in the initiation of vacuum arcs. Consequently, the inclusion of these interactions in vacuum arc simulations is imperative.

physics.plasm-ph↗

arXiv2023

Nano1D: An accurate Computer Vision software for analysis and segmentation of low-dimensional nanostructures

Nanoparticles in microscopy images are usually analyzed qualitatively or manually and there is a need for autonomous quantitative analysis of these objects. In this paper, we present a physics-based computational model for accurate segmentation and geometrical analysis of one-dimensional deformable overlapping objects from microscopy images. This model, named Nano1D, has four steps of preprocessing, segmentation, separating overlapped objects and geometrical measurements. The model is tested on SEM images of Ag and Au nanowire taken from different microscopes, and thermally fragmented Ag nanowires transformed into nanoparticles with different lengths, diameters, and population densities. It successfully segments and analyzes their geometrical characteristics including lengths and average diameter. The function of the algorithm is not undermined by the size, number, density, orientation and overlapping of objects in images. The main strength of the model is shown to be its ability to segment and analyze overlapping objects successfully with more than 99% accuracy, while current machine learning and computational models suffer from inaccuracy and inability to segment overlapping objects. Benefiting from a graphical user interface, Nano1D can analyze 1D nanoparticles including nanowires, nanotubes, nanorods in addition to other 1D features of microstructures like microcracks, dislocations etc.

cond-mat.mtrl-sci↗

arXiv2023

General form of the tunnelling barrier for nanometrically sharp electron emitters

Field electron emission from nanometer-scale objects deviates from the predictions of the classical emission theory as both the electrostatic potential curves within the tunneling region and the image potential deviates from the planar one. This impels the inclusion of additional correction terms in the potential barrier. At the apex of a tip-like rotationally symmetric surface, these terms are proportional to the (single) local emitter curvature. The present paper generalizes this relation, showing that for any emitter geometry, the coefficient of the correction terms is given by the mean curvature, i.e. the average of the two principal curvatures.

cond-mat.mes-hall↗

arXiv2022

Biased self-diffusion on Cu surface due to electric field gradients

Under strong electric fields, an arc of strong current flowing through plasma can link two metal surfaces even in ultra high vacuum. Despite decades of research, the chain of events leading to vacuum arc breakdowns is hitherto unknown. Previously we showed that a tall and sharp Cu nanotip exposed to strong electric fields heats up by field emission currents and eventually melts, evaporating neutral atoms that can contribute to plasma buildup. In this work, we investigate by means of molecular dynamics simulations whether surface diffusion biased by the presence of an electric field gradient can provide sufficient mass transport of atoms toward the top of the nanotip to maintain supply of neutrals for feeding plasma. To reach the necessary timescales and to add electric field in MD, we utilized a novel combination of collective variable~-driven hyperdynamics acceleration and coupling to a finite element mesh. In our simulations, we observed biased self-diffusion on Cu surfaces, that can contribute to the continuous replenishment of particle-emitting nanotips. This mechanism implies a need to reduce the rate of surface diffusion in devices that are susceptible to vacuum arcs. Finding suitable alloys or surface treatments that hinder the observed biased diffusion could guide the design of future devices, and greatly improve their efficiency.

cond-mat.mtrl-sci↗

arXiv2022

Polarization characteristics of adatoms self-diffusing on metal surfaces under high electric fields

Although atomic diffusion on metal surfaces under high electric fields has been studied theoretically and experimentally since the 1970s, its accurate and quantitative theoretical description remains a significant challenge. In our previous work, we developed a theoretical framework that describes the atomic dynamics on metal surfaces in the presence of an electric field in terms of the local polarization characteristics of the surface at the vicinity of a moving atom. Here, we give a deeper analysis of the physics underlying this framework, introducing and rigorously defining the concept of the effective polarization characteristics (permanent dipole moment $μ$ and polarizability $α$) of a moving atom on a metal surface, which are shown to be the relevant atomic quantities determining the dynamics of a moving atom via a compact equation. We use density functional theory (DFT) to calculate $μ$ and $α$ of a W adatom moving on a W {110} surface, where additional adatoms are present in its vicinity. We analyze the dependence of $μ$ and $α$ and hence the migration barriers under electric fields on the local atomic environments (LAE) of an adatom. We find that the LAE significantly affects $μ$ and $α$ of a moving atom in the limited cases we studied, which implies that further systematic DFT calculations are needed to fully parameterize surface diffusion in terms of energy barriers for long-term large scale simulations, such as our recently developed Kinetic Monte Carlo model for surface diffusion under electric field.

cond-mat.mtrl-sci↗

arXiv2021

General scaling laws of space charge effects in field emission

The characteristics of field electron and ion emission change when the space charge formed by the emitted charge is sufficient to suppress the extracting electric field. This phenomenon is well described for planar emitting diodes by the one dimensional (1D) theory. Here we generalize for any 3D geometry by deriving the scaling laws describing the field suppression in the weak space charge regime. We propose a novel corrected equivalent planar diode model, which describes the space charge effects for any geometry in terms of the 1D theory, utilizing a correction factor that adjusts the diode's scaling characteristics. We then develop a computational method, based on the Particle-In-Cell technique, which solves numerically the space charge problem. We validate our theory by comparing it to both our numerical calculations and existing experimental data, either of which can be used to obtain the geometrical correction factor of the corrected equivalent planar diode model.

physics.app-ph↗

arXiv2020

Electron cascades and secondary electron emission in graphene under energetic ion irradiation

Highly energetic ions traversing a two-dimensional material such as graphene produce strong electronic excitations. Electrons excited to energy states above the work function can give rise to secondary electron emission, reducing the amount of energy that remains the graphene after the ion impact. Electrons can either be emitted (kinetic energy transfer) or captured by the passing ion (potential energy transfer). To elucidate this behavior that is absent in three-dimensional materials, we simulate the electron dynamics in graphene during the first femtoseconds after ion impact. We employ two conceptually different computational methods: a Monte Carlo (MC) based one, where electrons are treated as classical particles, and time-dependent density functional theory (TDDFT), where electrons are described quantum-mechanically. We observe that the linear dependence of electron emission on deposited energy, emerging from MC simulations, becomes sublinear and closer to the TDDFT values when the electrostatic interactions of emitted electrons with graphene are taken into account via complementary particle-in-cell simulations. Our TDDFT simulations show that the probability for electron capture decreases rapidly with increasing ion velocity, whereas secondary electron emission dominates in the high velocity regime. We estimate that these processes reduce the amount of energy deposited in the graphene layer by 15\,\% to 65\,\%, depending on the ion and its velocity. This finding clearly shows that electron emission must be taken into consideration when modelling damage production in two-dimensional materials under ion irradiation.

cond-mat.mtrl-sci↗

arXiv2020

Effect of dc voltage pulsing on high-vacuum electrical breakdowns near Cu surfaces

Vacuum electrical breakdowns, also known as vacuum arcs, are a limiting factor in many devices that are based on application of high electric fields near their component surfaces. Understanding of processes that lead to breakdown events may help mitigating their appearance and suggest ways for improving operational efficiency of power-consuming devices. Stability of surface performance at a given value of the electric field is affected by the conditioning state, i.e. how long the surface was exposed to this field. Hence, optimization of the surface conditioning procedure can significantly speed up the preparatory steps for high-voltage applications. In this article, we use pulsed dc systems to optimize the surface conditioning procedure of copper electrodes, focusing on the effects of voltage recovery after breakdowns, variable repetition rates as well as long waiting times between pulsing runs. Despite the differences in the experimental scales, ranging from $10^{-4}$ s between pulses, up to pulsing breaks of $10^5$ s, the experiments show that the longer the idle time between the pulses, the more probable it is that the next pulse produces a breakdown. We also notice that secondary breakdowns, i.e. those which correlate with the previous ones, take place mainly during the voltage recovery stage. We link these events with deposition of residual atoms from vacuum on the electrode surfaces. Minimizing the number of pauses during the voltage recovery stage reduces power losses due to secondary breakdown events improving efficiency of the surface conditioning.

physics.ins-det↗

arXiv2020

Dynamic coupling between particle-in-cell and atomistic simulations

We propose a method to directly couple molecular dynamics, finite element method and particle-in-cell techniques to simulate metal surface response to high electric fields. We use this method to simulate the evolution of a field emitting tip under thermal runaway by fully including the 3D space-charge effects. We also present a comparison of the runaway process between the two tip geometries of different widths. The results show with high statistical significance that in case of sufficiently narrow field emitters, the thermal runaway occurs in cycles where intensive neutral evaporation alternates with the cooling periods. The comparison with previous works shows, that the evaporation rate in the regime of intensive evaporation is sufficient to ignite a plasma arc above the simulated field emitters.

cs.CE↗

arXiv2020

Growth mechanism for nanotips in high electric fields

In this work we show using atomistic simulations that the biased diffusion in high electric field gradients creates a mechanism whereby nanotips may start growing from small surface asperities. It has long been known that atoms on a metallic surface have biased diffusion if electric fields are applied and that microscopic tips may be sharpened using fields, but the exact mechanisms have not been well understood. Our Kinetic Monte Carlo simulation model uses a recently developed theory for how the migration barriers are affected by the presence of an electric field. All parameters of the model are physically motivated and no fitting parameters are used. The model has been validated by reproducing characteristic faceting patterns of tungsten surfaces that have in previous experiments been observed to only appear in the presence of strong electric fields. The growth effect is found to be enhanced by increasing fields and temperatures.

cond-mat.mtrl-sci↗

arXiv2020

Tungsten migration energy barriers for surface diffusion: a parameterization for KMC simulations

We have calculated the migration barriers for surface diffusion on Tungsten. Our results form a self-sufficient parameterization for Kinetic Monte Carlo simulations of arbitrarily rough atomic tungsten surfaces, as well as nanostructures such as nanotips and nanoclusters. The parameterization includes first- and second-nearest neighbour atom jump processes, as well as a third-nearest neighbour exchange process. The migration energy barriers of all processes are calculated with the Nudged Elastic Band method. The same attempt frequency for all processes is found sufficient and the value is fitted to Molecular Dynamics simulations. The model is validated by correctly simulating with Kinetic Monte Carlo the energetically favourable W nanocluster shapes, in good agreement with Molecular Dynamics simulations.

cond-mat.mtrl-sci↗

arXiv2020

Classification of vacuum arc breakdowns in a pulsed DC system

Understanding the microscopic phenomena behind vacuum arc ignition and generation is crucial for being able to control the breakdown rate, thus improving the effectiveness of many high-voltage applications where frequent breakdowns limit the operation. In this work, statistical properties of various aspects of breakdown, such as the number of pulses between breakdowns, breakdown locations and crater sizes are studied independently with almost identical Pulsed DC Systems at the University of Helsinki and in CERN. In high-gradient experiments, copper electrodes with parallel plate capacitor geometry, undergo thousands of breakdowns. The results support the classification of the events into primary and secondary breakdowns, based on the distance and number of pulses between two breakdowns. Primary events follow a power law on the log--log scale with the slope $α\approx 1.33$, while the secondaries are highly dependent on the pulsing parameters.

physics.ins-det↗